Dy2U2Hg5
Alexandria ALEXAlex-ID: agm012177228 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_286_spg12
DyHg2 DyHg3 U
2024-06-24 11:28:37.140601
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012177228).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm012177228
data_agm012177228
_cell_length_a 3.26235
_cell_length_b 8.11309
_cell_length_c 8.79430
_cell_angle_alpha 81.18275
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 230.01441
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1 Dy 0.50000 0.50882 0.79397 1.00000
Dy2 Dy 0.50000 0.49118 0.20603 1.00000
U1 U 0.00000 0.85538 0.57409 1.00000
U2 U 0.00000 0.14462 0.42591 1.00000
Hg1 Hg 0.50000 0.10592 0.77189 1.00000
Hg2 Hg 0.50000 0.89408 0.22811 1.00000
Hg3 Hg 0.00000 0.76497 0.95686 1.00000
Hg4 Hg 0.00000 0.23503 0.04314 1.00000
Hg5 Hg 0.00000 0.50000 0.50000 1.00000
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